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Information card for entry 4314504
Preview
| Coordinates | 4314504.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H30 Cl2 F2 Ir N5 O3 |
|---|---|
| Calculated formula | C38 H30 Cl2 F2 Ir N5 O3 |
| SMILES | [Ir]123([n]4c(c(nc5ccccc45)C)c4c2cc(F)cc4)([n]2c(c(nc4ccccc24)C)c2c3cc(F)cc2)[n]2c(cccc2)C(=O)O1.C(Cl)Cl.CO |
| Title of publication | Efficient and Long-Time Stable Red Iridium(III) Complexes for Organic Light-Emitting Diodes Based on Quinoxaline Ligands |
| Authors of publication | Daniel Schneidenbach; Sven Ammermann; Marc Debeaux; Andreas Freund; Mike Zöllner; Constantin Daniliuc; Peter G. Jones; Wolfgang Kowalsky; Hans-Hermann Johannes |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2010 |
| Journal volume | 49 |
| Pages of publication | 397 - 406 |
| a | 10.4887 ± 0.0006 Å |
| b | 8.2755 ± 0.0003 Å |
| c | 39.004 ± 0.002 Å |
| α | 90° |
| β | 94.325 ± 0.006° |
| γ | 90° |
| Cell volume | 3375.9 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0418 |
| Residual factor for significantly intense reflections | 0.0292 |
| Weighted residual factors for significantly intense reflections | 0.0491 |
| Weighted residual factors for all reflections included in the refinement | 0.0509 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179221 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/45. |
4314504.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4314504.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4314504.cif |
| 7647 | 2011-02-02 | ../uploads/cif-deposit/cod/cif Adding structures of 4314504 via cif-deposit CGI script. |
4314504.cif |
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